2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-])C)C

InChI

InChI=1S/C19H21N3O2S/c1-10-6-7-13(8-11(10)2)14-12(3)25-17-15(14)16(20-9-21-17)22-19(4,5)18(23)24/h6-9H,1-5H3,(H,23,24)(H,20,21,22)